Structure of PDB 6gu2 Chain A

Receptor sequence

>6gu2A (length=294) Species: 9606 (Homo sapiens) [Search protein sequence]

LGSMEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPST
AIREISLLKELRHPNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPG
QYMDSSLVKSYLYQILQGIVFCHSRRVLHRDLKPQNLLIDDKGTIKLADF
GLARAFGIPIRVYTVTLWYRSPEVLLGSARYSTPVDIWSIGTIFAELATK
KPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNTFPKWKPGSLA
SHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQI

3D structure

PDB

6gu2 Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.

Chain

Resolution

2.0 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D128 K130 Q132 N133 D146 V159 T166
Catalytic site (residue number reindexed from 1)	D131 K133 Q135 N136 D149 V162 T166
Enzyme Commision number	2.7.11.22: cyclin-dependent kinase. 2.7.11.23: [RNA-polymerase]-subunit kinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	F9Z	A	I10 V18 A31 K33 V64 F80 E81 F82 L83 L135 D146	I13 V21 A34 K36 V67 F83 E84 F85 L86 L138 D149	MOAD: Kd=1600nM PDBbind-CN: -logKd/Ki=5.80,Kd=1600nM

Gene Ontology

	Molecular Function
GO:0001618	virus receptor activity
GO:0003682	chromatin binding
GO:0004672	protein kinase activity
GO:0004674	protein serine/threonine kinase activity
GO:0004693	cyclin-dependent protein serine/threonine kinase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0008353	RNA polymerase II CTD heptapeptide repeat kinase activity
GO:0016301	kinase activity
GO:0030332	cyclin binding
GO:0030544	Hsp70 protein binding
GO:0035173	histone kinase activity
GO:0097472	cyclin-dependent protein kinase activity
GO:0106310	protein serine kinase activity

	Biological Process
GO:0000082	G1/S transition of mitotic cell cycle
GO:0000086	G2/M transition of mitotic cell cycle
GO:0000226	microtubule cytoskeleton organization
GO:0006260	DNA replication
GO:0006281	DNA repair
GO:0006338	chromatin remodeling
GO:0006357	regulation of transcription by RNA polymerase II
GO:0006468	protein phosphorylation
GO:0006915	apoptotic process
GO:0006974	DNA damage response
GO:0007077	mitotic nuclear membrane disassembly
GO:0007095	mitotic G2 DNA damage checkpoint signaling
GO:0007098	centrosome cycle
GO:0007344	pronuclear fusion
GO:0009410	response to xenobiotic stimulus
GO:0009636	response to toxic substance
GO:0010628	positive regulation of gene expression
GO:0010629	negative regulation of gene expression
GO:0010971	positive regulation of G2/M transition of mitotic cell cycle
GO:0014038	regulation of Schwann cell differentiation
GO:0014070	response to organic cyclic compound
GO:0014075	response to amine
GO:0014823	response to activity
GO:0016310	phosphorylation
GO:0016477	cell migration
GO:0016579	protein deubiquitination
GO:0018105	peptidyl-serine phosphorylation
GO:0018107	peptidyl-threonine phosphorylation
GO:0030261	chromosome condensation
GO:0030855	epithelial cell differentiation
GO:0031100	animal organ regeneration
GO:0034501	protein localization to kinetochore
GO:0042307	positive regulation of protein import into nucleus
GO:0042542	response to hydrogen peroxide
GO:0042752	regulation of circadian rhythm
GO:0043066	negative regulation of apoptotic process
GO:0044772	mitotic cell cycle phase transition
GO:0045471	response to ethanol
GO:0045740	positive regulation of DNA replication
GO:0045931	positive regulation of mitotic cell cycle
GO:0045995	regulation of embryonic development
GO:0046686	response to cadmium ion
GO:0046688	response to copper ion
GO:0046718	symbiont entry into host cell
GO:0048144	fibroblast proliferation
GO:0048511	rhythmic process
GO:0048678	response to axon injury
GO:0051301	cell division
GO:0055015	ventricular cardiac muscle cell development
GO:0060045	positive regulation of cardiac muscle cell proliferation
GO:0062033	positive regulation of mitotic sister chromatid segregation
GO:0065003	protein-containing complex assembly
GO:0070301	cellular response to hydrogen peroxide
GO:0070371	ERK1 and ERK2 cascade
GO:0071407	cellular response to organic cyclic compound
GO:0090166	Golgi disassembly
GO:1900182	positive regulation of protein localization to nucleus
GO:1902423	regulation of attachment of mitotic spindle microtubules to kinetochore
GO:1902850	microtubule cytoskeleton organization involved in mitosis
GO:1905448	positive regulation of mitochondrial ATP synthesis coupled electron transport

	Cellular Component
GO:0000307	cyclin-dependent protein kinase holoenzyme complex
GO:0000781	chromosome, telomeric region
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005759	mitochondrial matrix
GO:0005789	endoplasmic reticulum membrane
GO:0005813	centrosome
GO:0005819	spindle
GO:0005829	cytosol
GO:0005856	cytoskeleton
GO:0005876	spindle microtubule
GO:0016020	membrane
GO:0030496	midbody
GO:0070062	extracellular exosome
GO:0072686	mitotic spindle
GO:0097121	cyclin A1-CDK1 complex
GO:0097122	cyclin A2-CDK1 complex
GO:0097125	cyclin B1-CDK1 complex

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:6gu2, PDBe:6gu2, PDBj:6gu2
PDBsum	6gu2
PubMed	30472117
UniProt	P06493\|CDK1_HUMAN Cyclin-dependent kinase 1 (Gene Name=CDK1)

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